PKG drug G1 - 10mM in DMSO , CAS No.374703-78-3

CAS: 374703-78-3 Cat. No.: P423688 Formula: C₁₃H₁₁N₃OS Peso molecolare: 257.31 PubChem CID: 135402990

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

4-​Imidazolidinone,5-​[(2-​methyl-​1H-​indol-​3-​yl)​methylene]​-​2-​thioxo-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

PKG drug G1 PKG drug G1 is an activater of Protein Kinase G Iα (PKG Iα) targeting C42, resulting vasodilation and blood pressure lowering.

Targets

PKG Iα

Specifiche

Sinonimi

4-​Imidazolidinone,5-​[(2-​methyl-​1H-​indol-​3-​yl)​methylene]​-​2-​thioxo-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

PKG drug G1 is an activater of Protein Kinase G Iα (PKG Iα) targeting C42, resulting vasodilation and blood pressure lowering.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

2.269

Conteggio HBD

3

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

528766656

Sorrisi canonici

CC1=NC2=CC=CC=C2C1=CC3=C(NC(=S)N3)O

IUPAC Name

4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione

InChIKey

BPJCCABLAZZIEJ-RMKNXTFCSA-N

INCHI

1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+

Isomeri SMILES

CC\1=NC2=CC=CC=C2/C1=C/C3=C(NC(=S)N3)O

PubChem CID

135402990

Peso molecolare

257.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Imidazolethiones Benzenoids Imidazoles Heteroaromatic compounds Thioureas Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzenoid - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 51
• DMSO (mM) Solubilità massima: 198.204500408068
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 257.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.062 Da
• Monoisotopic Mass: 257.062 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1